methyl 4-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 4-[[[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(2-hydroxy-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

InChI

InChI=1S/C19H20N2O6S/c1-27-19(24)13-4-6-14(7-5-13)20-18(23)16-12-15(8-9-17(16)22)28(25,26)21-10-2-3-11-21/h4-9,12,22H,2-3,10-11H2,1H3,(H,20,23)